<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 10:34:34 UTC</creation_date>
  <update_date>2026-08-22 20:57:22 UTC</update_date>
  <accession/>
  <common_name>Butane, 1-(methylthio)-</common_name>
  <class>SmallMolecule</class>
  <description>Butane, 1-(methylthio)- is an organosulfur compound with the chemical formula C5H12S1 and an average molecular weight of 104.21 g/mol. Butane, 1-(methylthio)- belongs to the dialkylthioethers, a subclass of thioethers within the organic compounds.

In industrial contexts, the compound is utilized as a nutrient and a flavouring agent. It is associated with six recorded sources, spanning both household and electronic categories. Within the realm of electrical and electronic equipment, it is found in radio transmission systems, antennas, microphones, and hybrid capacitors. Additionally, it is released from household cleaning and consumer products, specifically soap detergents and perfumes within soaps and detergents.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>.alpha.-(Methylthio)butane</synonym>
    <synonym>1-(Methylsulfanyl)butan</synonym>
    <synonym>1-(Methylsulfanyl)butane</synonym>
    <synonym>1-(Methylthio)butane</synonym>
    <synonym>1-methylsulfanylbutane</synonym>
    <synonym>1730959</synonym>
    <synonym>2-thiahexane</synonym>
    <synonym>628295</synonym>
    <synonym>Butane, 1-(methylthio)-</synonym>
    <synonym>Butyl Methyl Sulfide</synonym>
    <synonym>butyl methyl sulphide</synonym>
    <synonym>Butyl methyl thioether</synonym>
    <synonym>ButylMethylSulfide</synonym>
    <synonym>EINECS 211-034-2</synonym>
    <synonym>InChI=1/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H</synonym>
    <synonym>methyl butyl sulfide</synonym>
    <synonym>Methyl butyl sulphide</synonym>
    <synonym>Methyl n-butyl sulfide</synonym>
    <synonym>Methyl-n-butyl sulfide</synonym>
    <synonym>methylthiobutane</synonym>
    <synonym>N-BUTYL METHYL SULFIDE</synonym>
    <synonym>n-Butyl methyl sulphide</synonym>
    <synonym>N-BUTYLMETHYLSULFIDE</synonym>
    <synonym>ST5409849</synonym>
    <synonym>Sulfide, butyl methyl</synonym>
    <synonym>TL8004279</synonym>
    <synonym>UNII-2N5IMB9XAP</synonym>
    <synonym>UNII:2N5IMB9XAP</synonym>
    <synonym>[628-29-5]</synonym>
  </synonyms>
  <chemical_formula>C5H12S1</chemical_formula>
  <average_molecular_weight>104.21</average_molecular_weight>
  <monisotopic_moleculate_weight>104.065971</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>628-29-5</cas_registry_number>
  <smiles>CCCCSC</smiles>
  <inchi>InChI=1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3</inchi>
  <inchikey>WCXXISMIJBRDQK-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organosulfur compounds</super_class>
    <class>Thioethers</class>
    <sub_class>Dialkylthioethers</sub_class>
    <direct_parent>Dialkylthioethers</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Sulfenyl compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Dialkylthioether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Sulfenyl compound</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>104.21</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>104.065971</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCSC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C5H12S1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>WCXXISMIJBRDQK-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7280982db8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>12339</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>11834</chemspider_id>
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  <general_references/>
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</compound>
